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1682-06-0 | Benzene, 1,2-dibromo-4-(trifluoromethoxy)-
CAS No: 1682-06-0 Catalog No: AG001XWV MDL No:
Product Description
Catalog Number:
AG001XWV
Chemical Name:
Benzene, 1,2-dibromo-4-(trifluoromethoxy)-
CAS Number:
1682-06-0
Molecular Formula:
C7H3Br2F3O
Molecular Weight:
319.9013
IUPAC Name:
1,2-dibromo-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3Br2F3O/c8-5-2-1-4(3-6(5)9)13-7(10,11)12/h1-3H
InChI Key:
TWWYCVQUIRYXRE-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1Br)OC(F)(F)F
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.848g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.903g/mol
Monoisotopic Mass:
317.85g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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